5YJ6
 
 | | The exoglucanase CelS from Clostridium thermocellum | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein | | Authors: | Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q. | | Deposit date: | 2017-10-09 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
Biotechnol Biofuels, 11, 2018
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5YNL
 | | Crystal structure of a cold-adapted arginase from psychrophilic yeast, Glaciozyma antarctica | | Descriptor: | Arginase | | Authors: | Yusof, N.Y, Quay, D.H.X, Illias, R.M, Firdaus-Raih, M, Abu-Bakar, F.D, Mahadi, N.M, Murad, A.M.A. | | Deposit date: | 2017-10-24 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.349 Å) | | Cite: | Crystal structure of a cold-adapted arginase from psychrophilic yeast, Glaciozyma antarctica
To Be Published
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5MY9
 | | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | | Deposit date: | 2017-01-26 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.327 Å) | | Cite: | Structural interface between LRRK2 and 14-3-3 protein.
Biochem. J., 474, 2017
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6ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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5LVO
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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6H0K
 | | Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | | Descriptor: | Lysozyme C | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-07-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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6H0L
 | | Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | | Descriptor: | Lysozyme C | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-07-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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5MHJ
 | | ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter | | Descriptor: | ACETIC ACID, CHLORIDE ION, DNA (5'-D(P*CP*GP*AP*TP*CP*GP*TP*CP*C)-3'), ... | | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | | Deposit date: | 2016-11-24 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.117 Å) | | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
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5N0J
 | | Structure of a novel oxidoreductase from Gloeobacter violaceus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | | Deposit date: | 2017-02-03 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N2R
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at 2.8A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562,ADENOSINE RECEPTOR A2A SOLUBLE CYTOCHROME B562 ADENOSINE RECEPTOR A2A,Adenosine receptor A2a, ... | | Authors: | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2017-02-08 | | Release date: | 2017-07-26 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
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2W2P
 | | PCSK9-deltaC D374A mutant bound to WT EGF-A of LDLR | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | | Deposit date: | 2008-11-03 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants.
J.Biol.Chem., 284, 2009
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8PA9
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8PAI
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8PA6
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8PAF
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6GP3
 | | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, inactive form | | Descriptor: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | | Authors: | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens.
Nature, 563, 2018
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8POA
 | | Structure of Coxsackievirus A16 (G-10) 2A protease | | Descriptor: | GLYCEROL, Protease 2A, ZINC ION | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-04 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6H5L
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6HL8
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5MZJ
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2017-01-31 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
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6HAL
 | | Human carbonmonoxy hemoglobin SFX dataset | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | | Deposit date: | 2018-08-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
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5W7M
 | | Crystal structure of RoqN | | Descriptor: | Glandicoline B O-methyltransferase roqN, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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5LVN
 | | Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5LVM
 | | Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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2VAU
 | | Isopenicillin N synthase with substrate analogue ACOMP (unexposed) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE | | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2007-09-04 | | Release date: | 2008-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?
J.Am.Chem.Soc., 130, 2008
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